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Perfluoropentane-based oxygen-loaded nanodroplets reduce microglial activation through metabolic reprogramming
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作者 Wanxian Luo Chuanhui Xu +4 位作者 Linxi Li Yunxiang Ji Yezhong Wang Yingjia Li Yongyi Ye 《Neural Regeneration Research》 SCIE CAS 2025年第4期1178-1191,共14页
Microglia,the primary immune cells within the brain,have gained recognition as a promising therapeutic target for managing neurodegenerative diseases within the central nervous system,including Parkinson’s disease.Na... Microglia,the primary immune cells within the brain,have gained recognition as a promising therapeutic target for managing neurodegenerative diseases within the central nervous system,including Parkinson’s disease.Nanoscale perfluorocarbon droplets have been reported to not only possess a high oxygen-carrying capacity,but also exhibit remarkable anti-inflammatory properties.However,the role of perfluoropentane in microglia-mediated central inflammatory reactions remains poorly understood.In this study,we developed perfluoropentane-based oxygen-loaded nanodroplets(PFP-OLNDs)and found that pretreatment with these droplets suppressed the lipopolysaccharide-induced activation of M1-type microglia in vitro and in vivo,and suppressed microglial activation in a mouse model of Parkinson’s disease.Microglial suppression led to a reduction in the inflammatory response,oxidative stress,and cell migration capacity in vitro.Consequently,the neurotoxic effects were mitigated,which alleviated neuronal degeneration.Additionally,ultrahigh-performance liquid chromatography–tandem mass spectrometry showed that the anti-inflammatory effects of PFP-OLNDs mainly resulted from the modulation of microglial metabolic reprogramming.We further showed that PFP-OLNDs regulated microglial metabolic reprogramming through the AKT-mTOR-HIF-1αpathway.Collectively,our findings suggest that the novel PFP-OLNDs constructed in this study alleviate microglia-mediated central inflammatory reactions through metabolic reprogramming. 展开更多
关键词 metabolic reprogramming microglia microglial migration nanotherapy neurodegenerative diseases NEUROINFLAMMATION oxygen-loaded nanodroplets Parkinson’s disease perfluoropentane ultra-performance liquid chromatography–mass spectrometry
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Surface active agents stabilize nanodroplets and enhance haze formation
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作者 马韵箐 陈昌盛 张现仁 《Chinese Physics B》 SCIE EI CAS CSCD 2021年第1期94-99,共6页
Although many organic molecules found commonly in the atmosphere are known to be surface-active in aqueous solutions, their effects on the mechanisms underlying haze formation remain unclear. In this paper, based on a... Although many organic molecules found commonly in the atmosphere are known to be surface-active in aqueous solutions, their effects on the mechanisms underlying haze formation remain unclear. In this paper, based on a simple thermodynamic analysis, we report that the adsorption of amphiphilic organics alone not only lowers the surface tension,but also unexpectedly stabilizes nanodroplets of specific size under water vapor supersaturation. Then we determine how various factors, including relative humidity, water activity effect due to dissolution of inorganic components as well as surface tension effect due to surface adsorption of organic components, cooperatively induce the stability of nanodroplets.The nanodroplet stability behaviors not captured in the current theory would change the formation mechanism of haze droplets, from the hygroscopic growth pathway to a nonclassical two-step nucleation pathway. 展开更多
关键词 nanodroplet stability AEROSOL HAZE NUCLEATION
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Ginsenoside modified lipid-coated perfluorocarbon nanodroplets: A novel approach to reduce complement protein adsorption and prolong in vivo circulation
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作者 Jie Zhou Binyang Gao +8 位作者 Huan Zhang Rui Yang Jianbo Huang Xin Li Yi Zhong Yan Wang Xiaoxia Zhu Yan Luo Feng Yan 《Acta Pharmaceutica Sinica B》 SCIE CAS CSCD 2024年第4期1845-1863,共19页
Lipid-coated perfluorocarbon nanodroplets(lp-NDs)hold great promise in bio-medicine as vehicles for drug delivery,molecular imaging and vaccine agents.However,their clinical utility is restricted by limited targeted a... Lipid-coated perfluorocarbon nanodroplets(lp-NDs)hold great promise in bio-medicine as vehicles for drug delivery,molecular imaging and vaccine agents.However,their clinical utility is restricted by limited targeted accumulation,attributed to the innate immune system(IIS),which acts as the initial defense mechanism in humans.This study aimed to optimize lp-ND formulations to mini-mize non-specific clearance by the IIS.Ginsenosides(Gs),the principal components of Panax ginseng,possessing complement inhibition ability,structural similarity to cholesterol,and comparable fat solubi-lity to phospholipids,were used as promising candidate IIS inhibitors.Two different types of ginsenoside-based Ip-NDs(Gs Ip-NDs)were created,and their efficacy in reducing IS recognition was examined.The Gs p-NDs were observed to inhibit the adsorption of C3 in the protein corona(PC)and the generation of SC5b-9.Adding Gs to Ip-NDs reduced complement adsorption and phagocytosis,resulting in a longer blood circulation time in vivo compared to lp-NDs that did not contain Gs.These results suggest that Gs can act as anti-complement and anti-phagocytosis adjuvants,potentially reducing non-specific clear-ance by the IS and improving lifespan. 展开更多
关键词 Lipid-coated perfluorocarbon nanodroplets Protein corona Complement C3 PHAGOCYTOSIS Ginsenosidelipid-coated perfluorocarbon nanodroplets Innate immune system Complement system Mononuclear phagocytic system
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Ultralow friction of ion-containing water nanodroplets
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作者 Jie Tan Yufeng Guo Wanlin Guo 《Nano Research》 SCIE EI CSCD 2023年第1期1792-1797,共6页
We reveal the ultralow friction or superlubricity of water nanodroplets containing cations and anions on graphene substrates at high ion concentration by molecular dynamics simulations.When the ion concentration is hi... We reveal the ultralow friction or superlubricity of water nanodroplets containing cations and anions on graphene substrates at high ion concentration by molecular dynamics simulations.When the ion concentration is higher than 7 wt.%and the nanodroplet diameter is larger than 10 nm,the friction coefficients of water nanodroplets are lower than 10−2,and can decrease to the order of 10−3 with increasing the ion concentration further.At a certain ion concentration,the optimal nanodroplet diameter of 17–20 nm exists at which the friction coefficient is the lowest.The ultralow friction behaviors of water nanodroplets containing cations and anions are mainly attributed to the opposite variation trends between the interfacial adhesion energy and surface energy of water nanodroplet with ion concentration,and the interfacial hydrophobicity sustained by high ion concentration.These results unveil the essential role of ions in achieving the superlubricity of water nanodroplets. 展开更多
关键词 water nanodroplet ion ultralow friction molecular dynamics
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Near infrared light-induced dynamic modulation of enzymatic activity through polyphenol-functionalized liquid metal nanodroplets
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作者 Chaojun Zhang Yang Tang +4 位作者 Qin Wang Yunxiang He Xiaoling Wang Sebastian Beyer Junling Guo 《Chinese Chemical Letters》 SCIE CAS CSCD 2023年第2期475-480,共6页
Dynamic manipulation of enzymatic activity is a challenging task for applications in chemical and pharmaceutical industries due to the difficult modification and variable conformation of various enzymes.Here, we repor... Dynamic manipulation of enzymatic activity is a challenging task for applications in chemical and pharmaceutical industries due to the difficult modification and variable conformation of various enzymes.Here, we report a new strategy for reversible dynamic modulation of enzymatic activity by near-infrared light-induced photothermal conversion based on polyphenol-functionalized liquid metal nanodroplets(LM). The metal-phenolic nanocoating not only provides colloidal stability of LM nanodroplets but also generates nanointerfaces for the assembly of various enzymes on the LM nanodroplets. Upon near infrared(NIR) irradiation, the localized microenvironmental heating through photothermal effect of the LM nanodroplets allows tailoring the enzymatic activity without affecting the bulk temperature. A library of functional enzymes, including proteinase K, glucoamylase, glucose oxidase, and Bst DNA polymerase, is integrated to perform a reversible control and enhanced activities even after five times of cycles, demonstrating great potential in bacterial fermentation, bacteriostasis, and target gene amplification. 展开更多
关键词 Enzymatic activity Photo-modulation Near infrared light Liquid metal nanodroplets Metal-phenolic nanocoating
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Molecular dynamics study of nanodroplet diffusion on smooth solid surfaces 被引量:2
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作者 Zhao-Xia Niu Tao Huang Yong Chen 《Frontiers of physics》 SCIE CSCD 2018年第5期103-108,共6页
We perform molecular dynamics simulations of Lennard-Jones particles in a canonical ensemble to study the diffusion of nanodroplets on smooth solid surfaces. Using the droplet-surface interaction to realize a hydrophi... We perform molecular dynamics simulations of Lennard-Jones particles in a canonical ensemble to study the diffusion of nanodroplets on smooth solid surfaces. Using the droplet-surface interaction to realize a hydrophilic or hydrophobic surface and calculating the mean square displacement of the center-of-mass of the nanodroplets, the random motion of nanodroplets could be characterized by short- time subdiffusion, intermediate-time superdiffusion, and long-time normal diffusion. The short-time subdiffusive exponent increases and almost reaches unity (normal diffusion) with decreasing droplet size or enhancing hydrophobicity. The diffusion coefficient of the droplet on hydrophobic surfaces is larger than that on hydrophilie surfaces. 展开更多
关键词 nanodroplet Brownian motion surface diffusion
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Coulomb explosion of nanodroplets drives the conversion of laser energy to nuclear energy
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作者 Isidore Last Shlomo Ron +1 位作者 Andreas Heidenreich Joshua Jortner 《High Power Laser Science and Engineering》 SCIE CAS 2013年第2期69-73,共5页
Theoretical–computational studies of table-top laser-driven nuclear fusion of high-energy(up to 15 MeV)deuterons with7Li,6Li,and D nuclei demonstrate the attainment of high fusion yields within a source–target react... Theoretical–computational studies of table-top laser-driven nuclear fusion of high-energy(up to 15 MeV)deuterons with7Li,6Li,and D nuclei demonstrate the attainment of high fusion yields within a source–target reaction design.This constitutes a source of Coulomb-exploding deuterium nanodroplets driven by an ultraintense femtosecond near-infrared laser and a solid hollow cylindrical target containing the second element.The source–target reaction design attains the highest table-top fusion efficiencies(up to 4×109J 1per laser pulse)obtained to date.The highest conversion efficiency of laser energy to nuclear energy(10 2–10 3)for table-top DD fusion attained in the source–target design is comparable to that for DT fusion currently accomplished for‘big science’inertial fusion setups. 展开更多
关键词 COULOMB explosion nanodropletS and CLUSTERS source-target design TABLE top nuclear fusion ultraintense LASERS
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A REAL-TIME AFM STUDY ON CRYSTAL NUCLEATION AND GROWTH IN NANODROPLETS OF ISOTACTIC POLYPROPYLENE
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作者 Jun-chai Zhao Bo Xing +1 位作者 Zheng Peng Jian-min Zhang 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 2013年第9期1310-1320,共11页
Isotactic polypropylene (iPP) nanodroplets were prepared by using the classical droplet method in this study. The formation of nanodroplets allowed the controlled observation of polymer nucleation as well as access ... Isotactic polypropylene (iPP) nanodroplets were prepared by using the classical droplet method in this study. The formation of nanodroplets allowed the controlled observation of polymer nucleation as well as access to crystal growth at exceptionally high supercooling in /PP. Three cases including the heterogeneous nucleation and fast crystallization in iPP droplets, the formation of multiple independent homogeneous nuclei within a single droplet and a single nucleus within a single droplet were detected by using atomic force microscopy (AFM) during gradually cooling after remelting the nanodroplets. Moreover, it is found that when the volume of droplet is larger than the value of ca. 130000 nm3, the first case was observed. Otherwise, the latter two cases appeared. The temperature at which the onset of nucleation was observed in individual droplets was found to be mainly dependent on height of the droplets when the size scale of the droplet is comparable to the size of the critical nucleus in at least one dimension, which indicates the nucleation behavior under confinement. 展开更多
关键词 Atomic force microscopy (AFM) Isotactic polypropylene (iPP) nanodropletS Homogeneous nucleation.
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Color-coded perfluorocarbon nanodroplets for multiplexed ultrasound and photoacoustic imaging
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作者 Daniela Y. Santiesteban Kristina A. Hallam +1 位作者 Steven K. Yarmoska Stanislav Y. Emelianov 《Nano Research》 SCIE EI CAS CSCD 2019年第4期741-747,共7页
Laser-activated perfluorocarb on n anodroplets are an emerging class of phase-cha nge, dual-c ontrast age nts that can be utilized in ultraso und and photoacoustic imaging. Through the ability to differe ntiate subpop... Laser-activated perfluorocarb on n anodroplets are an emerging class of phase-cha nge, dual-c ontrast age nts that can be utilized in ultraso und and photoacoustic imaging. Through the ability to differe ntiate subpopulations of nano droplets via laser activatio n at differe nt wavelengths of n ear-infrared light, optically-triggered color-coded perfluorocarb on nano droplets prese nt themselves as an attractive tool for multiplexed ultrasound and photoacoustic imaging. In particular, laser-activated droplets can be used to provide quantitative spatiotemporal information regarding distinct biological targets, allowing for their potential use in a wide range of diagnostic and therapeutic applications. In the work prese nted, laser-activated color-coded perfluorocarb on nan odroplets are syn thesized to selectively resp ond to laser irradiati on at corresp on ding wavele ngths. The dyn amic ultraso und and photoacoustic signals produced by laser-activated perfluorocarbon nano droplets are evaluated in situ prior to implementation in a murine model. In vivo, these particles are used to distinguish unique particle trafficking mechanisms and are show n to provide ultraso und and photoacoustic contrast for up to 72 hours within lymphatics. Overall, the con ducted studies show that laser-activated color-coded perfluorocarbo n nano droplets are a promising agent for multiplexed ultraso und and photoacoustic imaging. 展开更多
关键词 multiplexed IMAGING PERFLUOROCARBON nanodropletS PHOTOACOUSTIC IMAGING ULTRASOUND IMAGING molecular targets
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Evaporation of a nanodroplet on a rough substrate 被引量:2
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作者 孙永娟 黄韬 +1 位作者 赵俊锋 陈勇 《Frontiers of physics》 SCIE CSCD 2017年第5期191-197,共7页
底层的 wettability 和粗糙在无柄的微滴的蒸发对接触角度和三阶段的接触线的进化关键。在这份报纸,由在 nanoscale 为微滴蒸发执行分子的动力学模拟,我们证明 wettability 比粗糙更重要。为光滑的底层, nanodroplet 的蒸发行为在宏... 底层的 wettability 和粗糙在无柄的微滴的蒸发对接触角度和三阶段的接触线的进化关键。在这份报纸,由在 nanoscale 为微滴蒸发执行分子的动力学模拟,我们证明 wettability 比粗糙更重要。为光滑的底层, nanodroplet 的蒸发行为在宏观的规模类似于那。这类似也在不平的吸水的底层的情况中被观察。为不平的恐水病的底层,然而,卡住的经常的接触角度和接触线在蒸发期间接着出现。这建议恐水病的底层的粗糙为蒸发技术在是有用的在 nanoscale 自己组装。 展开更多
关键词 蒸发过程 粗糙度 基底 纳米尺度 动力学模拟 液滴蒸发 蒸发技术 接触线
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纳米水滴在纳米粗糙壁面上润湿行为的分子动力学模拟 被引量:9
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作者 王宝和 强伟丽 +1 位作者 王甜 于志家 《高校化学工程学报》 EI CAS CSCD 北大核心 2017年第5期1169-1176,共8页
接触角是固体表面润湿性能的重要参数之一,主要取决于固体的表面化学性质和表面几何构型。今采用分子动力学模拟技术,探讨纳米水滴在纳米粗糙壁面上的润湿行为。模拟结果表明,当壁面粗糙度因子相同时,纳米水滴在纳米栏栅形或纳米方柱矩... 接触角是固体表面润湿性能的重要参数之一,主要取决于固体的表面化学性质和表面几何构型。今采用分子动力学模拟技术,探讨纳米水滴在纳米粗糙壁面上的润湿行为。模拟结果表明,当壁面粗糙度因子相同时,纳米水滴在纳米栏栅形或纳米方柱矩阵形粗糙壁面上的接触角相差不大。对于疏水粗糙壁面,随着粗糙度因子增加,接触角增加到某一值,然后基本保持不变;随着相面积分数的增加,接触角基本不变,当相面积分数达到0.7,接触角逐渐减小。对于中性粗糙壁面,随着粗糙度因子或相面积分数的增加,纳米水滴的接触角变化不大,纳米水滴为Wenzel接触模式。对于亲水粗糙壁面,纳米水滴的接触角随着粗糙度因子或相面积分数的增加而减小,纳米水滴为Wenzel接触模式。 展开更多
关键词 分子动力学模拟 纳米水滴 接触角 纳米粗糙壁面 润湿行为
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粗糙壁面上水纳米液滴润湿性的分子动力学模拟 被引量:4
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作者 王宝和 强伟丽 于志家 《河南化工》 CAS 2019年第9期24-29,共6页
采用分子动力学模拟技术,研究水纳米液滴在粗糙壁面上的润湿性,探讨壁面形貌、柱高和相面积分数对接触状态和接触角的影响。模拟结果表明,在粗糙度因子相同的情况下,水纳米液滴在栏栅形、方柱矩阵形及凹坑矩阵形三种粗糙壁面上的接触角... 采用分子动力学模拟技术,研究水纳米液滴在粗糙壁面上的润湿性,探讨壁面形貌、柱高和相面积分数对接触状态和接触角的影响。模拟结果表明,在粗糙度因子相同的情况下,水纳米液滴在栏栅形、方柱矩阵形及凹坑矩阵形三种粗糙壁面上的接触角相差不大。对于疏水性壁面,当柱高较小时,水纳米液滴的接触状态为Wenzel模式;当柱高较大时,接触状态为Cassie模式,随着柱高的增加,接触角逐渐增大。在不同的相面积分数下,接触状态始终处于Cassie模式;随着相面积分数的增加,接触角逐渐减小。对于中性壁面,水纳米液滴的接触角随柱高变化不大,接触状态均为Wenzel模式。当相面积分数较小时,接触状态为Wenzel模式;当相面积分数较大时,接触状态为Cassie模式,接触角基本不变。对于亲水性壁面,当相面积分数较小时,水纳米液滴的接触状态为Wenzel模式;当相面积分数较大时,接触状态为Cassie模式。在不同的柱高下,接触状态均为Wenzel模式。 展开更多
关键词 粗糙壁面 分子动力学 模拟 水纳米液滴 接触角
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纳米液滴撞击柱状固体表面动态行为的分子动力学模拟 被引量:2
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作者 潘伶 张昊 林国斌 《物理学报》 SCIE EI CAS CSCD 北大核心 2021年第13期202-211,共10页
液滴撞击固体表面是一种广泛存在于工农业生产中的现象.随着微纳技术的发展,纳米液滴撞击行为的定量描述有待完善.采用分子动力学模拟纳米水滴撞击柱状粗糙铜固体表面的动态行为.分别在液滴速度为2-15Å/ps,五种方柱高度和六种固体... 液滴撞击固体表面是一种广泛存在于工农业生产中的现象.随着微纳技术的发展,纳米液滴撞击行为的定量描述有待完善.采用分子动力学模拟纳米水滴撞击柱状粗糙铜固体表面的动态行为.分别在液滴速度为2-15Å/ps,五种方柱高度和六种固体表面特征能的情况下分析液滴的动态特征.结果表明,随着液滴初始速度V_(0)的增加,其最终稳定状态先由Cassie态(V_(0)=2-3Å/ps)转变为Wenzel态(V_(0)=4-10Å/ps),然后再次呈现Cassie态(V_(0)=11-13Å/ps).当V_(0)>13Å/ps时,液滴发生弹跳.液滴最大铺展时间t_(max)与V_(0)关系曲线中存在拐点,并针对不同速度区域提出t_(max)与V_(0)的关系式.随着方柱高度的增加,液滴的稳定状态由Wenzel向Cassie态转变,液滴稳定状态的铺展半径逐渐减小.固体表面特征能es的增大使得液滴的铺展能力增强,液滴铺展后的回缩现象逐渐减弱直至消失. 展开更多
关键词 纳米液滴 分子动力学模拟 撞击 动态行为
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固着纳米水滴接触角滞后的分子动力学模拟 被引量:1
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作者 王宝和 王甜 夏良志 《河南化工》 CAS 2015年第9期14-18,共5页
采用分子动力学模拟技术,研究了固着纳米水滴的接触角滞后。模拟结果表明,无论是光滑壁面还是纳米粗糙壁面,随着壁面作用势能的增大,纳米水滴的接触角滞后增大。在壁面作用势能相同的条件下,纳米水滴在纳米粗糙壁面上的接触角滞后要大... 采用分子动力学模拟技术,研究了固着纳米水滴的接触角滞后。模拟结果表明,无论是光滑壁面还是纳米粗糙壁面,随着壁面作用势能的增大,纳米水滴的接触角滞后增大。在壁面作用势能相同的条件下,纳米水滴在纳米粗糙壁面上的接触角滞后要大于光滑壁面,方柱矩阵形比栏栅形纳米粗糙壁面的接触角滞后更大。 展开更多
关键词 分子动力学 固着纳米水滴 接触角滞后 模拟
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纳米液对瓷砖表面光洁度影响的实验研究
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作者 邵俊鹏 徐斌 《中国机械工程》 EI CAS CSCD 北大核心 2013年第3期331-335,共5页
为了研究瓷砖表面质量,分析瓷砖涂覆制膜机的结构和运行原理,提出了纳米液涂覆瓷砖机理。一系列未涂覆纳米液和涂覆纳米液瓷砖SEM对比实验表明,涂覆纳米液瓷砖表面光洁度优于未涂覆纳米液瓷砖,涂覆纳米液瓷砖的裂纹、凹坑被纳米液填充... 为了研究瓷砖表面质量,分析瓷砖涂覆制膜机的结构和运行原理,提出了纳米液涂覆瓷砖机理。一系列未涂覆纳米液和涂覆纳米液瓷砖SEM对比实验表明,涂覆纳米液瓷砖表面光洁度优于未涂覆纳米液瓷砖,涂覆纳米液瓷砖的裂纹、凹坑被纳米液填充并固化成膜。实验结果表明,涂覆纳米液瓷砖不易附着污渍,有显著的防护作用。 展开更多
关键词 涂覆制膜机 磨头 纳米液 瓷砖
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纳米液滴撞击润湿梯度表面的分子动力学模拟
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作者 潘伶 谢旭清 郭锦阳 《表面技术》 EI CAS CSCD 北大核心 2022年第11期395-404,共10页
目的研究在液滴撞击固体表面的过程中,撞击速度和润湿梯度对液滴运动的影响。方法采用分子动力学方法模拟纳米液滴以不同初始下落速度v_(0)撞击带有润湿梯度的固体表面,通过改变固体表面纳米方柱的间隙来构建润湿梯度,方柱间隙越小则接... 目的研究在液滴撞击固体表面的过程中,撞击速度和润湿梯度对液滴运动的影响。方法采用分子动力学方法模拟纳米液滴以不同初始下落速度v_(0)撞击带有润湿梯度的固体表面,通过改变固体表面纳米方柱的间隙来构建润湿梯度,方柱间隙越小则接触角越小、润湿性能越好。结果当v_(0)为0.3~1.1 nm/ps时,液滴撞击固体表面后沿固体表面朝着润湿性较强的方向移动;在v_(0)为0.7~1.1 nm/ps时,液滴出现了二次铺展;受到液滴的初始动能和钉扎效应的影响,液滴质心离开润湿梯度表面时的移动速度v_(t)出现了2个拐点。当v_(0)为1.2~1.5 nm/ps时,液滴在撞击固体表面后会发生弹跳,此时液滴在v_(0)垂直方向的速度分量随着v_(0)的增大呈线性增大趋势,而在v_(0)水平方向的速度分量为定值(0.017 nm/ps);液滴的弹跳速度v和弹跳角α会随着v_(0)的增大而增大。结论在液滴撞击带有润湿梯度的固体表面的过程中,最大铺展因子β_(max)与v_(0)近似呈线性关系;低速液滴撞击固体表面后会被捕捉,并沿着润湿性强的方向移动,提出了不同撞击速度区间中v_(t)与v_(0)的关系式;高速液滴在撞击后会沿着润湿性较好的一侧发生弹跳,提出了液滴弹跳速度、角度与v_(0)的关系式。 展开更多
关键词 纳米液滴 撞击 润湿梯度 分子动力学模拟 弹跳 铺展
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含有纳米颗粒的悬浮纳米液滴蒸发特性的分子动力学模拟
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作者 王宝和 侯兆泷 王维 《河南化工》 CAS 2020年第2期13-16,25,共5页
采用非平衡分子动力学模拟方法,研究单个含有固体金属纳米颗粒的悬浮纳米液滴的蒸发特性。模拟结果表明,含有金属纳米颗粒的悬浮球形纳米液滴,在蒸发过程中基本保持球形不变;模拟温度越高,金属纳米颗粒的质量分数越大,纳米流体液滴的球... 采用非平衡分子动力学模拟方法,研究单个含有固体金属纳米颗粒的悬浮纳米液滴的蒸发特性。模拟结果表明,含有金属纳米颗粒的悬浮球形纳米液滴,在蒸发过程中基本保持球形不变;模拟温度越高,金属纳米颗粒的质量分数越大,纳米流体液滴的球形度越小。当蒸发过程开始时,纳米流体液滴的蒸发速率很大,而且模拟温度越高,蒸发速率越大,随后,蒸发速率急剧下降;随着蒸发过程的进一步进行,蒸发速率缓慢下降。金属纳米颗粒的种类和质量分数,对悬浮纳米流体液滴的蒸发速率影响不大。 展开更多
关键词 分子动力学 模拟 纳米颗粒 悬浮纳米液滴 蒸发
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水-正十六烷混合物纳米液滴润湿特性的分子动力学模拟
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作者 王宝和 强伟丽 于志家 《河南化工》 CAS 2019年第7期10-14,18,共6页
采用分子动力学模拟方法,研究了水-正十六烷混合物纳米液滴在光滑及粗糙壁面上的润湿特性。模拟结果表明,对于光滑的疏液性和亲液性壁面,随着温度的升高,混合物纳米液滴的接触角呈总体增大的趋势;随着正十六烷体积百分数的增加,混合物... 采用分子动力学模拟方法,研究了水-正十六烷混合物纳米液滴在光滑及粗糙壁面上的润湿特性。模拟结果表明,对于光滑的疏液性和亲液性壁面,随着温度的升高,混合物纳米液滴的接触角呈总体增大的趋势;随着正十六烷体积百分数的增加,混合物纳米液滴的接触角增大。对于疏液性粗糙壁面,随着凸起高度的增加,混合物纳米液滴的接触状态由Wenzel模式转换成Cassie模式,其接触角逐渐增大;随着凹陷宽度的增加,混合纳米液滴的接触状态由Cassie态转变为Wenzel态,其接触角总体上是减小的。对于亲液性粗糙壁面,混合物纳米液滴的接触状态均为Wenzel模式;随着凸起高度的增加,接触角呈总体增加的趋势。 展开更多
关键词 分子动力学 模拟 纳米液滴 接触角 正十六烷
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悬浮Ar-CH4纳米液滴蒸发过程的分子动力学模拟
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作者 王宝和 侯兆泷 王维 《河南化工》 CAS 2020年第7期12-16,共5页
采用非平衡分子动力学模拟方法,研究了Ar-CH4二元混合物体系的悬浮纳米液滴的蒸发行为。模拟结果表明,当蒸发过程开始时,混合物纳米液滴的球形度迅速减小;之后,维持在一定的球形度数值上波动。在整个蒸发过程中,纳米液滴基本为球形;模... 采用非平衡分子动力学模拟方法,研究了Ar-CH4二元混合物体系的悬浮纳米液滴的蒸发行为。模拟结果表明,当蒸发过程开始时,混合物纳米液滴的球形度迅速减小;之后,维持在一定的球形度数值上波动。在整个蒸发过程中,纳米液滴基本为球形;模拟温度越高、液滴初始直径越小,球形度越小;甲烷的摩尔分数对球形度的影响不大。在蒸发过程的初期,混合物纳米液滴的蒸发速率较大,且随模拟温度的升高而增大,随液滴初始直径和甲烷摩尔分数的增大而减小。随着蒸发时间的延长,蒸发速率先急剧减小;然后,再缓慢减小。气体空间内惰性组分的加入,并不影响混合物纳米液滴的蒸发速率。 展开更多
关键词 分子动力学 模拟 二元混合物 悬浮纳米液滴 蒸发
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氧化镁壁面上水纳米液滴润湿性的分子动力学模拟
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作者 王宝和 强伟丽 于志家 《河南化工》 CAS 2018年第1期14-17,共4页
采用分子动力学模拟技术,研究氧化镁壁面-水纳米液滴体系的润湿特性。探讨了温度对密度分布及接触角的影响,研究了水分子在氧化镁近壁处的排布规律。模拟结果表明,氧化镁壁面具有润湿水纳米液滴的特性;随着温度的升高,氧化镁壁面-水纳... 采用分子动力学模拟技术,研究氧化镁壁面-水纳米液滴体系的润湿特性。探讨了温度对密度分布及接触角的影响,研究了水分子在氧化镁近壁处的排布规律。模拟结果表明,氧化镁壁面具有润湿水纳米液滴的特性;随着温度的升高,氧化镁壁面-水纳米液滴体系的接触角不断减小,即润湿性不断增强。氧化镁近壁处的水分子中的两个氢原子,一个靠近氧化镁壁面,另一个远离氧化镁壁面。 展开更多
关键词 纳米液滴 润湿性 分子动力学模拟 氧化镁壁面
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